4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C18H15ClN4O5S2 MolecularWeight: 466.9185

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O5S2/c19-13-5-3-11(9-16(13)30(27,28)22-7-1-2-8-22)17(24)21-18-20-14-6-4-12(23(25)26)10-15(14)29-18/h3-6,9-10H,1-2,7-8H2,(H,20,21,24)